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enviPath is both, a database and a prediction system, for the microbial biotransformation of organic environmental contaminants. The database provides the possibility to store and view experimentally observed biotransformation pathways, and supports the annotation of pathways with experimental and environmental conditions. The pathway prediction system provides different relative reasoning models to predict likely biotransformation pathways and products.

Database

The enviPath database stores reviewed pathways from the scientific literature and predicted or user-entered pathways. The default package currently consists mainly of the pathways from the former EAWAG-BBD system. You can browse using the top menu. The database is organized in packages. Each package has an owner who can grant reading or writing permissions. We list data only as reviewed if it is reviewed by one of the organisations or groups in the reviewer group.

Prediction

enviPath can be used to predict biotransformation pathways. You can do this by simply using the input field on the start page. Enter a compound in SMILES format, or draw it using the molecule editor (by clicking on the dropdown on the left), and click on "Go!". If the pathway for this compound was predicted before and is found in the database, a list of corresponding pathways will be returned, otherwise, the system will predict the pathway. Note that for anonymous users there is a limit to computation time and size of the predicted pathways. The resulting pathway will be stored in the database for 30 days and will be accessible and changeable for everyone. If you want to store the pathway for longer, prevent others from changing or seeing your pathways, or use more resources in terms of computation time and size of pathways, create an account (using the login button above) and set appropriate permissions for your data packages (the default settings should be suitable for most users).

Cite

Cite enviPath using

enviPath–The environmental contaminant biotransformation pathway resource J Wicker, T Lorsbach, M Gütlein, E Schmid, D Latino, S Kramer, K Fenner Nucleic Acids Research, gkv1229 (full text)

Changelogs

Documentation

REST API